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Continuing advances in Large Language Models (LLMs) in artificial intelligence offer important capacities in intuitively accessing and using medical knowledge in many contexts, including education and training as well as assessment and…

Computation and Language · Computer Science 2024-08-01 Roma Shusterman , Allison C. Waters , Shannon O`Neill , Phan Luu , Don M. Tucker

Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Machine Learning · Computer Science 2025-08-18 Sanket Jantre , Tianle Wang , Gilchan Park , Kriti Chopra , Nicholas Jeon , Xiaoning Qian , Nathan M. Urban , Byung-Jun Yoon

Large language models have demonstrated impressive retrieval-augmented capabilities. However, a crucial area remains underexplored: their ability to appropriately adapt responses to the certainty of the retrieved information. It is a…

Computation and Language · Computer Science 2026-05-11 Behzad Shayegh , Mohamed Osama Ahmed , Fred Tung , Leo Feng

Traditional biomedical version of embeddings obtained from pre-trained language models have recently shown state-of-the-art results for relation extraction (RE) tasks in the medical domain. In this paper, we explore how to incorporate…

Computation and Language · Computer Science 2020-12-23 Ishani Mondal

Medical Decision-Making (MDM) is a multi-faceted process that requires clinicians to assess complex multi-modal patient data patient, often collaboratively. Large Language Models (LLMs) promise to streamline this process by synthesizing…

Patient-derived xenografts (PDXs) are an appealing platform for preclinical drug studies because the in vivo environment of PDXs helps preserve tumor heterogeneity and usually better mimics drug response of patients with cancer compared to…

Educational interventions are effective tools for enhancing student learning. While Large Language Models (LLMs) allow for generating adaptive feedback at scale, current studies lack clear methodologies for providing Just-in-Time (JiT)…

Computation and Language · Computer Science 2026-05-27 Younghun Lee , Amir Bralin , Nobel Sanjay Rebello , Dan Goldwasser

Adapting general large language models (LLMs) to specialized domains presents great challenges due to varied data distributions. This adaptation typically requires continual pre-training on massive domain-specific corpora to facilitate…

Computation and Language · Computer Science 2024-07-16 Jinhao Jiang , Junyi Li , Wayne Xin Zhao , Yang Song , Tao Zhang , Ji-Rong Wen

In this paper, we present a novel diagnostic framework that integrates Knowledge Graphs (KGs) and Large Language Models (LLMs) to support system diagnostics in high-reliability systems such as nuclear power plants. Traditional diagnostic…

Artificial Intelligence · Computer Science 2025-09-01 Saman Marandi , Yu-Shu Hu , Mohammad Modarres

We introduce a low-resource safety enhancement method for aligning large language models (LLMs) without the need for supervised fine-tuning (SFT) or reinforcement learning from human feedback (RLHF). Our main idea is to exploit knowledge…

Computation and Language · Computer Science 2024-06-07 Haozheng Luo , Jiahao Yu , Wenxin Zhang , Jialong Li , Jerry Yao-Chieh Hu , Xinyu Xing , Han Liu

Predicting and discovering drug-drug interactions (DDIs) is an important problem and has been studied extensively both from medical and machine learning point of view. Almost all of the machine learning approaches have focused on text data…

Machine Learning · Computer Science 2020-06-30 Devendra Singh Dhami , Siwen Yan , Gautam Kunapuli , David Page , Sriraam Natarajan

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Neural Networks (NNs) trained through supervised learning struggle with managing edge-case scenarios common in real-world driving due to the intractability of exhaustive datasets covering all edge-cases, making knowledge-driven approaches,…

Artificial Intelligence · Computer Science 2025-04-17 Nicolas Baumann , Cheng Hu , Paviththiren Sivasothilingam , Haotong Qin , Lei Xie , Michele Magno , Luca Benini

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

Machine Learning · Computer Science 2025-11-17 Namkyeong Lee , Edward De Brouwer , Ehsan Hajiramezanali , Tommaso Biancalani , Chanyoung Park , Gabriele Scalia

Augmenting large language models (LLMs) with external retrieval has become a standard method to address their inherent knowledge cutoff limitations. However, traditional retrieval-augmented generation methods employ static, pre-inference…

Computation and Language · Computer Science 2025-09-25 Hongjin Qian , Zheng Liu

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

Large Language Models (LLMs) have greatly contributed to the development of adaptive intelligent agents and are positioned as an important way to achieve Artificial General Intelligence (AGI). However, LLMs are prone to produce factually…

Computation and Language · Computer Science 2024-08-29 Weijian Xie , Xuefeng Liang , Yuhui Liu , Kaihua Ni , Hong Cheng , Zetian Hu

Interaction between pharmacological agents can trigger unexpected adverse events. Capturing richer and more comprehensive information about drug-drug interactions (DDI) is one of the key tasks in public health and drug development.…

Machine Learning · Computer Science 2020-10-19 Yuanfei Dai , Chenhao Guo , Wenzhong Guo , Carsten Eickhoff

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Anticipating and adapting to failures is a key capability robots need to collaborate effectively with humans in complex domains. This continues to be a challenge despite the impressive performance of state of the art AI planning systems and…